2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-(1-isoquinolin-3-ylcarbonylpiperidin-4-yl)-6-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[1-[3-isoquinolinyl(oxo)methyl]-4-piperidinyl]-6-methyl-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[1-(isoquinoline-3-carbonyl)piperidin-4-yl]-6-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[1-(isoquinoline-3-carbonyl)-4-piperidyl]-6-methyl-N-(3-pyridylmethyl)nicotinamide Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCC2=CN=CC=C2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCC2=CN=CC=C2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C28H27N5O2/c1-19-8-9-24(27(34)31-17-20-5-4-12-29-16-20)26(32-19)21-10-13-33(14-11-21)28(35)25-15-22-6-2-3-7-23(22)18-30-25/h2-9,12,15-16,18,21H,10-11,13-14,17H2,1H3,(H,31,34)